# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 116.71 4.41 11.32 17.24 113.23 -154.09 -89.71 133.11 99.89 0.04 0.06 99.83 0.06 0.05 0.03 0.00 0.00 0.02 0.01 1 A C C 71.28 4.05 8.56 14.32 108.34 -130.76 -79.28 128.36 80.81 1.00 18.19 75.63 0.96 4.67 16.09 1.72 0.00 0.52 0.42 2 S C C 77.89 2.56 9.02 12.93 104.97 -152.58 -80.89 39.87 71.23 1.33 27.44 56.48 6.80 7.20 24.79 3.51 0.00 0.68 0.54 3 K H H 146.96 1.74 9.61 12.30 97.68 93.52 -73.16 -30.09 41.57 2.61 55.82 25.30 8.45 8.98 46.81 7.94 0.03 1.82 0.66 4 L H H 105.78 3.21 9.01 13.67 97.94 58.30 -74.51 -28.78 36.75 2.36 60.90 21.74 7.11 8.96 51.28 8.61 0.03 1.72 0.55 5 K H H 124.00 3.43 10.53 15.34 99.96 56.78 -74.80 -26.38 34.66 1.98 63.36 22.68 5.93 7.02 55.19 7.24 0.01 1.45 0.47 6 K H H 129.04 2.55 11.48 15.03 96.80 56.41 -70.50 -34.68 33.07 0.86 66.06 20.97 5.83 7.23 58.61 6.55 0.01 0.52 0.27 7 S H H 65.60 2.88 11.79 15.73 97.04 53.52 -73.41 -31.46 35.74 0.82 63.44 21.79 5.29 9.30 56.35 6.50 0.01 0.47 0.29 8 W H H 136.88 4.52 9.70 15.84 99.35 56.86 -74.77 -28.25 35.20 0.73 64.08 20.42 6.14 9.54 55.57 7.63 0.01 0.39 0.31 9 K H H 130.18 2.59 11.28 15.04 96.58 60.74 -69.64 -32.89 35.74 0.58 63.68 18.98 7.16 10.40 57.68 5.22 0.01 0.28 0.26 10 D H H 101.46 1.98 11.15 13.85 98.47 54.63 -77.21 -18.15 44.47 0.47 55.05 23.77 7.81 13.05 49.87 5.06 0.01 0.21 0.23 11 E H H 121.96 3.12 9.67 14.35 100.92 70.55 -77.27 -17.65 48.63 0.60 50.78 29.06 8.81 10.76 46.15 4.67 0.01 0.27 0.27 12 K C C 136.40 2.75 9.67 13.98 102.76 71.64 -79.17 1.27 59.07 0.85 40.09 39.47 8.77 10.17 36.92 3.89 0.00 0.38 0.39 13 K C C 140.46 2.42 9.80 13.67 106.20 84.03 -83.22 72.02 64.35 0.93 34.72 45.72 9.86 7.64 32.94 3.00 0.00 0.40 0.43 14 K C C 136.06 2.95 9.45 14.03 107.38 94.12 -82.85 95.78 68.10 0.70 31.21 47.78 12.70 6.35 29.80 2.76 0.00 0.30 0.31 15 S C C 72.95 3.23 9.66 14.43 107.46 -107.90 -79.44 122.64 69.99 0.64 29.38 57.88 5.11 6.28 26.49 3.65 0.00 0.32 0.28 16 K C H 149.23 2.22 9.55 13.15 101.79 -132.35 -80.15 -7.98 55.14 0.67 44.19 28.75 10.30 16.33 36.61 7.32 0.01 0.30 0.37 17 T C H 99.04 2.24 9.43 12.98 103.89 70.54 -87.45 6.65 54.62 0.82 44.56 27.10 10.65 17.12 37.34 6.98 0.02 0.36 0.43 18 A C H 73.97 3.02 9.16 13.79 111.14 95.91 -87.36 126.63 50.85 1.15 48.00 31.07 10.97 9.13 41.40 6.41 0.01 0.53 0.47 19 I H H 124.37 2.15 9.60 13.08 106.58 -136.17 -85.24 48.43 44.46 2.86 52.69 28.51 8.53 8.11 47.30 4.96 0.02 1.80 0.77 20 F C H 126.05 3.78 8.88 14.45 113.26 -132.66 -91.77 133.33 48.67 3.20 48.13 31.08 10.40 7.37 44.59 3.59 0.02 2.24 0.71 21 S C C 60.98 2.70 11.71 15.42 115.41 -129.19 -82.26 162.59 57.73 2.19 40.08 45.64 5.35 5.06 39.93 1.99 0.00 1.55 0.48 22 L H H 119.95 1.73 10.71 13.21 94.06 -107.02 -62.56 -37.83 6.25 0.08 93.68 3.01 1.21 2.03 92.87 0.83 0.00 0.03 0.02 23 E H H 132.77 0.96 12.75 12.91 92.69 52.43 -65.33 -40.25 2.94 0.03 97.03 1.08 0.41 1.38 96.39 0.71 0.00 0.01 0.01 24 K H H 115.06 2.05 12.67 15.27 92.92 49.56 -66.52 -39.35 2.21 0.03 97.76 0.86 0.28 1.05 97.11 0.68 0.00 0.01 0.01 25 Q H H 91.65 2.78 12.50 16.44 92.11 51.34 -64.83 -40.34 1.38 0.01 98.61 0.56 0.16 0.57 98.40 0.30 0.00 0.00 0.00 26 K H H 118.96 1.47 14.71 15.61 92.02 50.75 -64.53 -40.60 1.33 0.01 98.66 0.51 0.13 0.58 98.59 0.18 0.00 0.00 0.00 27 V H H 81.82 1.65 14.85 16.06 91.96 49.84 -64.49 -41.80 1.14 0.01 98.86 0.42 0.11 0.49 98.83 0.14 0.00 0.00 0.00 28 M H H 93.92 2.26 14.20 16.93 92.02 49.84 -64.25 -41.63 0.83 0.00 99.16 0.29 0.07 0.36 99.17 0.11 0.00 0.00 0.00 29 K H H 115.17 1.89 14.72 16.61 91.97 50.14 -64.53 -40.90 0.85 0.00 99.15 0.26 0.07 0.39 99.18 0.09 0.00 0.00 0.00 30 Q H H 102.82 1.52 15.10 15.99 91.77 50.15 -64.66 -40.78 0.84 0.00 99.16 0.22 0.07 0.42 99.20 0.08 0.00 0.00 0.00 31 E H H 107.50 1.62 14.97 16.10 91.86 50.08 -64.87 -40.72 1.10 0.00 98.90 0.30 0.10 0.55 98.97 0.09 0.00 0.00 0.00 32 R H H 135.71 1.75 14.62 16.26 91.89 50.23 -64.79 -40.75 1.43 0.01 98.56 0.38 0.12 0.75 98.65 0.10 0.00 0.00 0.00 33 L H H 94.67 1.77 14.54 16.15 91.86 50.14 -64.66 -40.85 1.18 0.00 98.81 0.38 0.10 0.54 98.88 0.10 0.00 0.00 0.00 34 Q H H 104.68 1.45 15.43 16.05 91.77 49.88 -64.52 -41.23 0.85 0.00 99.15 0.25 0.07 0.39 99.22 0.08 0.00 0.00 0.00 35 K H H 120.90 1.57 15.43 16.40 91.95 49.51 -65.07 -40.74 0.76 0.00 99.24 0.19 0.06 0.37 99.31 0.07 0.00 0.00 0.00 36 A H H 54.01 2.32 14.17 17.10 91.70 51.28 -63.87 -40.88 0.71 0.00 99.29 0.16 0.05 0.34 99.37 0.07 0.00 0.00 0.00 37 K H H 120.28 1.54 15.71 16.54 91.84 50.49 -64.78 -40.88 0.76 0.00 99.24 0.17 0.05 0.39 99.32 0.07 0.00 0.00 0.00 38 I H H 91.15 1.74 15.07 16.43 91.74 50.16 -64.23 -41.65 0.57 0.00 99.43 0.12 0.04 0.29 99.49 0.06 0.00 0.00 0.00 39 L H H 93.78 1.76 14.66 16.23 91.79 49.91 -64.24 -41.00 0.48 0.00 99.52 0.10 0.03 0.23 99.58 0.05 0.00 0.00 0.00 40 R H H 136.35 1.66 14.56 16.03 91.74 50.29 -64.36 -40.71 0.44 0.00 99.56 0.08 0.03 0.22 99.63 0.05 0.00 0.00 0.00 41 E H H 113.95 1.47 15.17 15.96 91.92 50.28 -64.92 -40.79 0.38 0.00 99.62 0.06 0.02 0.21 99.67 0.04 0.00 0.00 0.00 42 K H H 126.24 1.43 15.04 15.82 92.07 49.56 -64.92 -40.79 0.47 0.00 99.53 0.07 0.03 0.25 99.60 0.05 0.00 0.00 0.00 43 I H H 96.24 1.76 14.61 16.13 92.00 48.51 -64.97 -41.90 0.44 0.00 99.56 0.08 0.03 0.23 99.61 0.05 0.00 0.00 0.00 44 K H H 119.33 1.54 15.38 16.28 91.76 49.94 -64.53 -41.11 0.40 0.00 99.60 0.06 0.03 0.22 99.64 0.06 0.00 0.00 0.00 45 G H H 34.58 2.07 14.60 16.98 91.69 50.13 -63.27 -41.89 0.86 0.00 99.13 0.11 0.05 0.54 99.22 0.09 0.00 0.00 0.00 46 L H H 93.17 1.74 14.86 16.28 91.88 49.76 -64.70 -41.08 0.71 0.00 99.29 0.11 0.05 0.39 99.35 0.09 0.00 0.00 0.00 47 K H H 117.34 1.64 14.94 16.21 91.81 49.95 -64.82 -40.81 0.75 0.00 99.25 0.15 0.06 0.39 99.32 0.08 0.00 0.00 0.00 48 E H H 106.71 1.59 15.10 16.16 91.69 49.95 -64.62 -41.23 0.82 0.00 99.18 0.17 0.07 0.43 99.25 0.09 0.00 0.00 0.00 49 K H H 120.70 1.48 15.00 15.88 91.67 49.85 -64.64 -40.70 0.95 0.00 99.05 0.18 0.08 0.53 99.10 0.11 0.00 0.00 0.00 50 K H H 118.99 1.65 14.63 16.01 91.82 50.18 -64.70 -40.76 1.21 0.00 98.78 0.24 0.10 0.69 98.83 0.14 0.00 0.00 0.00 51 K H H 119.64 1.53 14.73 15.79 91.84 49.86 -64.66 -40.77 1.32 0.00 98.68 0.26 0.11 0.76 98.73 0.14 0.00 0.00 0.00 52 Q H H 107.15 1.43 15.10 15.76 91.78 50.00 -64.74 -40.79 1.31 0.00 98.69 0.21 0.11 0.81 98.72 0.14 0.00 0.00 0.00 53 Y H H 130.71 1.62 14.65 15.85 91.88 49.91 -64.29 -41.99 1.18 0.00 98.82 0.20 0.10 0.73 98.81 0.16 0.00 0.00 0.00 54 Y H H 134.08 1.62 14.65 15.92 91.86 49.62 -64.73 -41.18 0.79 0.00 99.20 0.17 0.07 0.45 99.17 0.14 0.00 0.00 0.00 55 L H H 93.49 1.76 14.75 16.29 91.67 50.24 -64.41 -41.13 0.63 0.00 99.37 0.12 0.05 0.36 99.35 0.11 0.00 0.00 0.00 56 D H H 82.98 1.68 15.38 16.55 91.86 49.92 -64.60 -40.88 0.95 0.00 99.05 0.18 0.07 0.55 99.09 0.11 0.00 0.00 0.00 57 L H H 90.17 1.84 14.92 16.56 91.97 49.83 -64.60 -41.43 0.72 0.00 99.28 0.14 0.06 0.40 99.31 0.10 0.00 0.00 0.00 58 A H H 57.47 2.13 14.64 17.04 91.63 50.50 -63.98 -41.12 0.59 0.00 99.40 0.11 0.05 0.31 99.43 0.09 0.00 0.00 0.00 59 R H H 141.71 1.49 15.27 16.17 91.79 50.05 -64.78 -40.58 0.78 0.00 99.21 0.15 0.06 0.43 99.24 0.11 0.00 0.00 0.00 60 Q H H 103.96 1.56 15.36 16.27 91.91 49.97 -64.68 -41.26 0.79 0.00 99.21 0.15 0.06 0.43 99.26 0.10 0.00 0.00 0.00 61 K H H 120.40 1.57 15.52 16.48 91.92 49.57 -64.98 -40.75 0.80 0.00 99.20 0.16 0.07 0.43 99.25 0.10 0.00 0.00 0.00 62 A H H 55.14 2.19 14.41 17.02 91.71 50.58 -64.02 -40.95 0.70 0.00 99.30 0.13 0.06 0.37 99.34 0.10 0.00 0.00 0.00 63 D H H 84.02 1.70 15.08 16.43 91.65 50.48 -64.33 -40.60 0.83 0.00 99.17 0.15 0.06 0.45 99.22 0.11 0.00 0.00 0.00 64 K H H 122.86 1.49 14.98 15.92 92.02 50.51 -65.16 -40.68 0.97 0.00 99.03 0.17 0.07 0.55 99.06 0.14 0.00 0.00 0.00 65 L H H 94.00 1.65 14.45 15.82 91.98 50.31 -64.45 -41.42 1.11 0.00 98.88 0.23 0.10 0.61 98.86 0.20 0.00 0.00 0.00 66 E H H 107.94 1.53 14.27 15.40 91.95 50.19 -64.33 -40.79 1.66 0.00 98.33 0.36 0.16 0.95 98.17 0.35 0.00 0.00 0.00 67 A H H 57.69 1.80 12.55 14.83 91.61 50.73 -64.58 -40.41 2.69 0.01 97.30 0.65 0.28 1.55 96.80 0.71 0.00 0.00 0.01 68 D H H 88.55 1.53 12.03 13.77 92.05 51.15 -65.43 -38.66 4.55 0.01 95.44 0.97 0.44 2.85 94.29 1.43 0.00 0.00 0.01 69 K H H 138.89 1.11 11.08 12.19 92.78 51.95 -66.94 -37.10 8.68 0.02 91.29 1.33 0.76 6.22 89.30 2.36 0.01 0.01 0.01 70 L H H 127.28 0.93 9.59 10.65 93.37 52.28 -69.32 -32.89 16.88 0.07 83.05 3.01 1.72 11.74 81.43 2.02 0.01 0.03 0.04 71 L H H 129.02 1.12 8.65 10.38 96.70 52.50 -79.74 -13.99 42.50 0.30 57.19 19.27 1.63 20.63 56.68 1.46 0.00 0.09 0.23 72 N C C 122.60 1.84 11.29 14.11 100.53 55.49 -59.16 44.97 99.94 0.01 0.05 99.58 0.09 0.28 0.04 0.00 0.00 0.00 0.00